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SCHEMBL10109666

SCHEMBL10109666

CN(c1ccc(C2CCC3Oc4ccccc4C3C2)cc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ LTA4H P09960 3/20 0.35
▸ HTR2A P28223 9/20 0.33
▸ HTR2C P28335 9/20 0.33
▸ HTR2B P41595 6/20 0.33
▸ HRH3 Q9Y5N1 5/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH1 P35367 2/20 0.30
▸ JAK3 P52333 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10109653 0.79 LMNA (0.42) ESR1ESR2
SCHEMBL4485887 0.67 HRH4 (0.44) HRH3TRPV1MEN1KMT2AJAK3
SCHEMBL10109661 0.67 ESR1 (0.37) ESR1ESR2HTR2AHTR2CHRH1
SCHEMBL9391610 0.66 ESR1 (0.47) ESR1ESR2MEN1KMT2A
SCHEMBL7317272 0.66 ESR1 (0.47) ESR1ESR2MEN1KMT2A
SCHEMBL10682685 0.66 ESR1 (0.51) ESR1ESR2
SCHEMBL20733110 0.66 ALDH1A1 (0.50) ESR1TRPV1MEN1KMT2AJAK3
SCHEMBL20733138 0.66 ALDH1A1 (0.50) ESR1TRPV1MEN1KMT2AJAK3
SCHEMBL19227318 0.66 ALDH1A1 (0.50) ESR1TRPV1MEN1KMT2AJAK3
SCHEMBL182620 0.66 ALDH1A1 (0.50) ESR1TRPV1MEN1KMT2AJAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 — — US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 — — US disclosed